Colour centres in zircon containing both Eu3+ and U4+ ions

1970 ◽  
Vol 23 (8) ◽  
pp. 1513 ◽  
Author(s):  
PE Fielding

Single crystals of zircon containing both Eu3+ and U4+ were grown from flux melts cooled at rates varying between 4�/hr and 2�/hr. Irradiation with u.v. develops colour centres only in those regions of a crystal containing Eu3+ and U4+. Fluorescence and absorption spectra measured at temperatures down to 77�K show that these centres are similar in behaviour to F and F' centres in the alkali halides. They are thought to be related to an exchange coupled pair, U4+-02-Eu3+, but the experimental data permit only a description in terms of one-electron energy levels. The same basic behaviour is observed for zircon containing U4+ and any other lanthanide but some interesting differences are described for U4+, Dy3+.

2009 ◽  
Vol 64 (12) ◽  
pp. 834-836
Author(s):  
Chao Ni ◽  
Yi Huang ◽  
Maolu Du

Introducing the average covalent factor N and considering the interaction of the cubic crystal field, the spin-orbit coupling and Tree’s correction effects, the crystal field parameter Dq was calculated. Also the varying tendency of Dq with the bond length R was investigated. Using the complete diagonalizing method the energy levels of the fine structure of Ga2Se3:Co2+ single crystal were calculated and assigned. The calculated and assigned results are consistent with the experimental data


2012 ◽  
Vol 560-561 ◽  
pp. 906-908
Author(s):  
Feng Miao ◽  
Ying Huang

Considering the crystal field parameter B, C and average covalent factor N, the energy levels of Li2GeO3: Cr3+ crystal are calculated by diagonalizing the energy matrix of 3d3. The experimental data are compared with calculated results. The results show that the calculated results are in agreement with experiments. Absorb spectra are successfully identified.


2020 ◽  
pp. 149-152

The energy states for the J , b , ɤ bands and electromagnetic transitions B (E2) values for even – even molybdenum 90 – 94 Mo nuclei are calculated in the present work of "the interacting boson model (IBM-1)" . The parameters of the equation of IBM-1 Hamiltonian are determined which yield the best excellent suit the experimental energy states . The positive parity of energy states are obtained by using IBS1. for program for even 90 – 94 Mo isotopes with bosons number 5 , 4 and 5 respectively. The" reduced transition probability B(E2)" of these neuclei are calculated and compared with the experimental data . The ratio of the excitation energies of the 41+ to 21+ states ( R4/2) are also calculated . The calculated and experimental (R4/2) values showed that the 90 – 94 Mo nuclei have the vibrational dynamical symmetry U(5). Good agreement was found from comparison between the calculated energy states and electric quadruple probabilities B(E2) transition of the 90–94Mo isotopes with the experimental data .


2021 ◽  
Vol 103 (5) ◽  
Author(s):  
A. E. Dorokhov ◽  
V. I. Korobov ◽  
A. P. Martynenko ◽  
F. A. Martynenko

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Christian Wiebeler ◽  
Joachim Vollbrecht ◽  
Adam Neuba ◽  
Heinz-Siegfried Kitzerow ◽  
Stefan Schumacher

AbstractA detailed investigation of the energy levels of perylene-3,4,9,10-tetracarboxylic tetraethylester as a representative compound for the whole family of perylene esters was performed. It was revealed via electrochemical measurements that one oxidation and two reductions take place. The bandgaps determined via the electrochemical approach are in good agreement with the optical bandgap obtained from the absorption spectra via a Tauc plot. In addition, absorption spectra in dependence of the electrochemical potential were the basis for extensive quantum-chemical calculations of the neutral, monoanionic, and dianionic molecules. For this purpose, calculations based on density functional theory were compared with post-Hartree–Fock methods and the CAM-B3LYP functional proved to be the most reliable choice for the calculation of absorption spectra. Furthermore, spectral features found experimentally could be reproduced with vibronic calculations and allowed to understand their origins. In particular, the two lowest energy absorption bands of the anion are not caused by absorption of two distinct electronic states, which might have been expected from vertical excitation calculations, but both states exhibit a strong vibronic progression resulting in contributions to both bands.


1986 ◽  
Vol 21 (1) ◽  
pp. K10-K12 ◽  
Author(s):  
A. A. Alybakov ◽  
R. T. Aitmatova ◽  
Sh. Akchalov ◽  
N. Toichiev

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